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2,9-bis[2'-(Hydroxymethyl)-4'-methoxy-2'-(2"-methoxyethyl)butyl]-anthra[2,1,9-def : 6,5,10-d'e'f']diisoquinoline-1,3,8,10-tetraone

View entire compound with spectra: 1 MS (GC)

2,9-bis[2'-(Hydroxymethyl)-4'-methoxy-2'-(2"-methoxyethyl)butyl]-anthra[2,1,9-def : 6,5,10-d'e'f']diisoquinoline-1,3,8,10-tetraone
SpectraBase Compound ID 1puLh68LkZo
InChI InChI=1S/C42H46N2O10/c1-51-17-13-41(23-45,14-18-52-2)21-43-37(47)29-9-5-25-27-7-11-31-36-32(12-8-28(34(27)36)26-6-10-30(38(43)48)35(29)33(25)26)40(50)44(39(31)49)22-42(24-46,15-19-53-3)16-20-54-4/h5-12,45-46H,13-24H2,1-4H3
InChIKey NXWGOCLQOLXPSN-UHFFFAOYSA-N
Mol Weight 738.8 g/mol
Molecular Formula C42H46N2O10
Exact Mass 738.315246 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DdphQ6i3Upm
Name 2,9-bis[2'-(Hydroxymethyl)-4'-methoxy-2'-(2"-methoxyethyl)butyl]-anthra[2,1,9-def : 6,5,10-d'e'f']diisoquinoline-1,3,8,10-tetraone
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Formula C42H46N2O10
InChI InChI=1S/C42H46N2O10/c1-51-17-13-41(23-45,14-18-52-2)21-43-37(47)29-9-5-25-27-7-11-31-36-32(12-8-28(34(27)36)26-6-10-30(38(43)48)35(29)33(25)26)40(50)44(39(31)49)22-42(24-46,15-19-53-3)16-20-54-4/h5-12,45-46H,13-24H2,1-4H3
InChIKey NXWGOCLQOLXPSN-UHFFFAOYSA-N
Molecular Weight 738.834 g/mol
SMILES OCC(CN1C(c2ccc3c4ccc5c6c4c(ccc6C(N(CC(CO)(CCOC)CCOC)C5=O)=O)c4ccc(C1=O)c2c34)=O)(CCOC)CCOC
SPLASH splash10-0pbc-0106911600-9ad3b552f13e41b47bf3
Source of Spectrum H-2005-4316-2
Wiley ID 1563244